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EGEM implemented by pytorch

Inference

sh inference.sh "C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N CC(=O)OC1=CC=CC=C1C(=O)O CN1CCC[C@H]1COc1cccc(Cl)c1 C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1"

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